Data quality metrics extracted from 6yj1.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "5e309e4ab378334e6c9a0ebf8eb638df",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 33.89,
    "b": 56.38,
    "c": 110.49,
    "alpha": 90.00,
    "beta": 92.84,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.43,2.3],
    "number_observations_unique": 17866,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1612
      },
      {
        "type": "R(meas)",
        "value": 0.1761
      },
      {
        "type": "R(pim)",
        "value": 0.0696
      },
      {
        "type": "I/SigI",
        "value": 7.59
      },
      {
        "type": "Completeness",
        "value": 95.06
      },
      {
        "type": "Redundancy",
        "value": 6.01
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.3],
      "number_observations_unique": 1664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5327
        },
        {
          "type": "R(meas)",
          "value": 0.585
        },
        {
          "type": "R(pim)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 89.46
        },
        {
          "type": "Redundancy",
          "value": 5.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.911
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):